5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one

C9H9F2NO — CID 166891852

IUPAC5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one
SMILESCc1c[nH]c2c1C(=O)C(F)(F)CC2
InChIInChI=1S/C9H9F2NO/c1-5-4-12-6-2-3-9(10,11)8(13)7(5)6/h4,12H,2-3H2,1H3
InChIKeyWCWNQJKCPTYSLZ-UHFFFAOYSA-N
MW185.17 g/mol
LogP2.09
Rot. Bonds

About 5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one

5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one (PubChem CID 166891852) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one.

Molecular Properties

Compound Name5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one
PubChem CID166891852
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one
SMILESCc1c[nH]c2c1C(=O)C(F)(F)CC2
InChIInChI=1S/C9H9F2NO/c1-5-4-12-6-2-3-9(10,11)8(13)7(5)6/h4,12H,2-3H2,1H3
InChIKeyWCWNQJKCPTYSLZ-UHFFFAOYSA-N
XLogP2.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one?
The IUPAC name of 5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one (CID 166891852) is 5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one.
What is the SMILES notation for 5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one?
The canonical SMILES for 5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one is Cc1c[nH]c2c1C(=O)C(F)(F)CC2.
What is the InChIKey of 5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one?
The InChIKey is WCWNQJKCPTYSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-5-4-12-6-2-3-9(10,11)8(13)7(5)6/h4,12H,2-3H2,1H3.
What are the key properties of 5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one?
5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one has a molecular weight of 185.17 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-methyl-6,7-dihydro-1H-indol-4-one is sourced from PubChem (CID 166891852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).